spin polarised calculation with HSE

Vasp transition state theory tools

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tdh10
Posts: 1
Joined: Fri Apr 05, 2019 8:37 am

spin polarised calculation with HSE

Post by tdh10 » Fri Apr 05, 2019 8:39 am

I have been trying to do a spin polarized calculation with HSE
(ISPIN =2) of a certain system and am getting an error message which looks as follows :

EDWAV: internal error, the gradient is not orthogonal 1

Can somebody please help ?

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